2-(4-fluorophenyl)-2,5-dimethyl-N-propyloctan-3-amine

C19H32FN — CID 64769158

IUPAC2-(4-fluorophenyl)-2,5-dimethyl-N-propyloctan-3-amine
SMILESCCCNC(CC(C)CCC)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C19H32FN/c1-6-8-15(3)14-18(21-13-7-2)19(4,5)16-9-11-17(20)12-10-16/h9-12,15,18,21H,6-8,13-14H2,1-5H3
InChIKeyHZZBZGZQVGGVTC-UHFFFAOYSA-N
MW293.47 g/mol
LogP5.30
Rot. Bonds9

About 2-(4-fluorophenyl)-2,5-dimethyl-N-propyloctan-3-amine

2-(4-fluorophenyl)-2,5-dimethyl-N-propyloctan-3-amine (PubChem CID 64769158) has the molecular formula C19H32FN and a molecular weight of 293.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2,5-dimethyl-N-propyloctan-3-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2,5-dimethyl-N-propyloctan-3-amine
PubChem CID64769158
Molecular FormulaC19H32FN
Molecular Weight293.47 g/mol
Exact Mass293.25
IUPAC Name2-(4-fluorophenyl)-2,5-dimethyl-N-propyloctan-3-amine
SMILESCCCNC(CC(C)CCC)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C19H32FN/c1-6-8-15(3)14-18(21-13-7-2)19(4,5)16-9-11-17(20)12-10-16/h9-12,15,18,21H,6-8,13-14H2,1-5H3
InChIKeyHZZBZGZQVGGVTC-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.47
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methoxy-2,5-dimethyl-N-propyloctan-3-amine
CID 79198397
(2R)-4-[[(2R)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]butan-2-ol
CID 99822491
2-(4-fluorophenyl)-2,4-dimethylheptan-3-amine
CID 114013785
1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 60820444
2,5-dimethyl-2-methylsulfonyl-N-propyloctan-3-amine
CID 115845249
3-methoxy-3,6-dimethyl-N-propylnonan-4-amine
CID 116758239
1-(4-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79198282
2,7-dimethyl-2-phenyl-N-propyloctan-3-amine
CID 83162206
1-N-[(4-fluorophenyl)methyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 62622855
2-(azepan-1-yl)-2,5-dimethyl-N-propyloctan-3-amine
CID 79051683
N-ethyl-2-(4-fluorophenyl)-2-methyl-6-methylsulfonylhexan-3-amine
CID 64770135
1-(2-chloro-6-fluorophenyl)-3-methyl-N-propylhexan-1-amine
CID 115845692

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2,5-dimethyl-N-propyloctan-3-amine?
The IUPAC name of 2-(4-fluorophenyl)-2,5-dimethyl-N-propyloctan-3-amine (CID 64769158) is 2-(4-fluorophenyl)-2,5-dimethyl-N-propyloctan-3-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-2,5-dimethyl-N-propyloctan-3-amine?
The canonical SMILES for 2-(4-fluorophenyl)-2,5-dimethyl-N-propyloctan-3-amine is CCCNC(CC(C)CCC)C(C)(C)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2,5-dimethyl-N-propyloctan-3-amine?
The InChIKey is HZZBZGZQVGGVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FN/c1-6-8-15(3)14-18(21-13-7-2)19(4,5)16-9-11-17(20)12-10-16/h9-12,15,18,21H,6-8,13-14H2,1-5H3.
What are the key properties of 2-(4-fluorophenyl)-2,5-dimethyl-N-propyloctan-3-amine?
2-(4-fluorophenyl)-2,5-dimethyl-N-propyloctan-3-amine has a molecular weight of 293.47 g/mol, XLogP of 5.30, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2,5-dimethyl-N-propyloctan-3-amine is sourced from PubChem (CID 64769158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).